CHEMBL20171
SMILES | CN(CCO)C1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O |
InChIKey | XPCYGKNGEFHXCZ-UKGGWICRSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 557.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pIC50 | 5.89 | 5.89 | 5.89 | ChEMBL |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pIC50 | 5.51 | 5.51 | 5.51 | ChEMBL |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |